1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole

C21H18N2O — CID 134285418

IUPAC1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
SMILESCc1ccc2c(oc3ccccc32)c1N1CN(C)c2ccccc21
InChIInChI=1S/C21H18N2O/c1-14-11-12-16-15-7-3-6-10-19(15)24-21(16)20(14)23-13-22(2)17-8-4-5-9-18(17)23/h3-12H,13H2,1-2H3
InChIKeyMQMWOCDNMNEZJQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.44
Rot. Bonds1

About 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole

1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole (PubChem CID 134285418) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
PubChem CID134285418
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
SMILESCc1ccc2c(oc3ccccc32)c1N1CN(C)c2ccccc21
InChIInChI=1S/C21H18N2O/c1-14-11-12-16-15-7-3-6-10-19(15)24-21(16)20(14)23-13-22(2)17-8-4-5-9-18(17)23/h3-12H,13H2,1-2H3
InChIKeyMQMWOCDNMNEZJQ-UHFFFAOYSA-N
XLogP5.44
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 167400605
CID 167400605
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole
CID 140714920
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole
CID 138486784
CID 140884078
CID 140884078
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
(2S)-4-isocyano-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 153430535

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole?
The IUPAC name of 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole (CID 134285418) is 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole is Cc1ccc2c(oc3ccccc32)c1N1CN(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole?
The InChIKey is MQMWOCDNMNEZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-11-12-16-15-7-3-6-10-19(15)24-21(16)20(14)23-13-22(2)17-8-4-5-9-18(17)23/h3-12H,13H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole?
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole has a molecular weight of 314.39 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole is sourced from PubChem (CID 134285418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).